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HPC @ FAU

Overview

The HPC group at RRZE provides HPC systems, Tools / Software, and user support to researchers in Northern Bavaria. Two members of the HPC group (Dr. Anna Kahler and Tobias Klöffel) provide dedicated support for Life Science and Computer Chemistry.

Both coming from a Molecular Science background, Anna and Tobias have advanced experience in working within the HPC environment. Whereas Anna uses classical molecular dynamics simulations to investigate protein behavior, Tobias focuses on quantum mechanics and code development.

People

Dr. Anna Kahler

Support Life Science

Email: anna.kahler@fau.de

Tobias Klöffel

Support  Chemistry

Email: tobias.kloeffel@fau.de

 

Selected Publications

Anna Kahler:

 

Tobias Klöffel:

  • A. Ostapenko, T. Klöffel, J. Eußner, K. Harms, S. Dehnen, B. Meyer, G. Witte, ACS Appl. Mater. Interfaces 8 (2016) 13472–13483; Etching of Crystalline ZnO Surfaces upon Phosphonic-Acid Adsorption: Guideline for the Realization of Well-Engineered Functional Self-Assembled Monolayers 10.1021/acsami.6b02190
  • A. Ostapenko, T. Klöffel, B. Meyer, G. Witte, Langmuir 32 (2016) 5029–5037; Formation and Stability of Phenylphosphonic Acid Monolayers on ZnO: Comparison of in-situ and ex-situ SAM Preparation 10.1021/acs.langmuir.6b00487
  • A. Kobler, T. Beuth, T. Klöffel, P. Prang, M. Moosmann, T. Scherer, S. Walheim, H. Hahn, C. Kübel, B. Meyer, T. Schimmel, E. Bitzek, Acta Mater. 92 (2015) 299–308; Nanotwinned Silver Nanowires: Structure and Mechanical Properties 10.1016/j.actamat.2015.02.041
  • T. Klöffel, E. Bitzek, B. Meyer, Data in Brief 3 (2015) 206–215; Impact of twin boundaries on bulk elastic constants: Density-functional theory data for Young’s modulus of Ag 10.1016/j.dib.2015.03.005

 

Selected Talks

Tobias Klöffel: